SCHEMBL23330880

SCHEMBL23330880

COC(=O)CCC(=O)c1cc(-c2coc3ccc(F)cc23)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
NPC1 O15118 5/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 5/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
GFER P55789 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29831255 1.00 GSK3B (0.36) GSK3BNPC1POLBKDM4ERAB9A
SCHEMBL23330951 0.92 MAPT (0.37) GSK3BNPC1POLBKDM4ERAB9A
SCHEMBL29831186 0.92 MAPT (0.37) GSK3BNPC1POLBKDM4ERAB9A
SCHEMBL23330881 0.88 GSK3B (0.39) GSK3BNPC1POLBKDM4ERAB9A
SCHEMBL23300729 0.87 POLB (0.41) GSK3BNPC1POLBKDM4ERAB9A
SCHEMBL29831300 0.87 POLB (0.41) GSK3BNPC1POLBKDM4ERAB9A
SCHEMBL23330935 0.86 KDM4E (0.45) NPC1POLBKDM4ERAB9ASMN1; SMN2
SCHEMBL23330475 0.81 LMNA (0.36) NPC1POLBKDM4ERAB9ASMN1; SMN2
SCHEMBL23330763 0.80 KDM4E (0.35) POLBKDM4ERAB9AMAPTKMT2A
SCHEMBL29831282 0.80 KDM4E (0.35) POLBKDM4ERAB9AMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 GSK3B 3353/4885NPC1 1142/4885POLB 2083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.